3-fluoropyrazine-2-carbaldehyde

C5H3FN2O — CID 57066567

IUPAC3-fluoropyrazine-2-carbaldehyde
SMILESO=Cc1nccnc1F
InChIInChI=1S/C5H3FN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
InChIKeyXVRMSFXTHCCTKS-UHFFFAOYSA-N
MW126.09 g/mol
LogP0.43
Rot. Bonds1

About 3-fluoropyrazine-2-carbaldehyde

3-fluoropyrazine-2-carbaldehyde (PubChem CID 57066567) has the molecular formula C5H3FN2O and a molecular weight of 126.09 g/mol. Its IUPAC name is 3-fluoropyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-fluoropyrazine-2-carbaldehyde
PubChem CID57066567
Molecular FormulaC5H3FN2O
Molecular Weight126.09 g/mol
Exact Mass126.02
IUPAC Name3-fluoropyrazine-2-carbaldehyde
SMILESO=Cc1nccnc1F
InChIInChI=1S/C5H3FN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
InChIKeyXVRMSFXTHCCTKS-UHFFFAOYSA-N
XLogP0.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrazine-2-carbaldehyde?
The IUPAC name of 3-fluoropyrazine-2-carbaldehyde (CID 57066567) is 3-fluoropyrazine-2-carbaldehyde.
What is the SMILES notation for 3-fluoropyrazine-2-carbaldehyde?
The canonical SMILES for 3-fluoropyrazine-2-carbaldehyde is O=Cc1nccnc1F.
What is the InChIKey of 3-fluoropyrazine-2-carbaldehyde?
The InChIKey is XVRMSFXTHCCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H.
What are the key properties of 3-fluoropyrazine-2-carbaldehyde?
3-fluoropyrazine-2-carbaldehyde has a molecular weight of 126.09 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrazine-2-carbaldehyde is sourced from PubChem (CID 57066567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).